6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C25H26F2N4O2S — CID 46938086

IUPAC6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C25H26F2N4O2S/c26-12-18(13-27)30-34(32,33)20-8-10-23(29-15-20)25-22(14-28)21-9-7-17(16-5-6-16)11-24(21)31(25)19-3-1-2-4-19/h7-11,15-16,18-19,30H,1-6,12-13H2
InChIKeyVHVHWVLQGOIPTJ-UHFFFAOYSA-N
MW484.57 g/mol
LogP5.15
Rot. Bonds8

About 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46938086) has the molecular formula C25H26F2N4O2S and a molecular weight of 484.57 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46938086
Molecular FormulaC25H26F2N4O2S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(C3CC3)ccc12
InChIInChI=1S/C25H26F2N4O2S/c26-12-18(13-27)30-34(32,33)20-8-10-23(29-15-20)25-22(14-28)21-9-7-17(16-5-6-16)11-24(21)31(25)19-3-1-2-4-19/h7-11,15-16,18-19,30H,1-6,12-13H2
InChIKeyVHVHWVLQGOIPTJ-UHFFFAOYSA-N
XLogP5.15
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46938086) is 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(C3CC3)ccc12.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is VHVHWVLQGOIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O2S/c26-12-18(13-27)30-34(32,33)20-8-10-23(29-15-20)25-22(14-28)21-9-7-17(16-5-6-16)11-24(21)31(25)19-3-1-2-4-19/h7-11,15-16,18-19,30H,1-6,12-13H2.
What are the key properties of 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 484.57 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46938086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).